void setupOutputFile(SDDS_DATASET *OutputTable,
int32_t *xIndex, int32_t *yIndex, int32_t *fitIndex, int32_t *residualIndex,
char *output, long fullOutput, SDDS_DATASET *InputTable, char *xName, char *yName)
{
char *name, *yUnits, *description, *xUnits, *inverse_xUnits;
int32_t typeValue = SDDS_DOUBLE;
static char *residualNamePart = "Residual";
static char *residualDescriptionPart = "Residual of sinusoidal fit to ";
if (!SDDS_InitializeOutput(OutputTable, SDDS_BINARY, 0, NULL, "sddsexpfit output", output) ||
!SDDS_TransferColumnDefinition(OutputTable, InputTable, xName, NULL) ||
!SDDS_ChangeColumnInformation(OutputTable, "type", &typeValue, SDDS_BY_NAME, xName) ||
(*xIndex=SDDS_GetColumnIndex(OutputTable, xName))<0 ||
!SDDS_GetColumnInformation(InputTable, "units", &xUnits, SDDS_BY_NAME, xName) ||
!SDDS_GetColumnInformation(InputTable, "units", &yUnits, SDDS_BY_NAME, yName))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
name = tmalloc(sizeof(*name)*(strlen(yName)+strlen(residualNamePart)+1));
description = tmalloc(sizeof(*name)*(strlen(yName)+strlen(residualDescriptionPart)+1));
if (fullOutput) {
if (!SDDS_TransferColumnDefinition(OutputTable, InputTable, yName, NULL) ||
!SDDS_ChangeColumnInformation(OutputTable, "type", &typeValue, SDDS_BY_NAME, yName) ||
(*yIndex=SDDS_GetColumnIndex(OutputTable, yName))<0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(name, "%s%s", yName, residualNamePart);
sprintf(description, "%s%s", yName, residualDescriptionPart);
if ((*residualIndex=SDDS_DefineColumn(OutputTable, name, NULL, yUnits, description,
NULL, SDDS_DOUBLE, 0))<0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
sprintf(name, "%sFit", yName);
sprintf(description, "Sinusoidal fit to %s", yName);
if ((*fitIndex=SDDS_DefineColumn(OutputTable, name, NULL, yUnits, description,
NULL, SDDS_DOUBLE, 0))<0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
inverse_xUnits = makeInverseUnits(xUnits);
if (SDDS_DefineParameter(OutputTable, "sinefitConstant", NULL, yUnits, "Constant term from sinusoidal fit",
NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineParameter(OutputTable, "sinefitFactor", NULL, yUnits, "Factor from sinusoidal fit",
NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineParameter(OutputTable, "sinefitFrequency", NULL, inverse_xUnits, "Frequency from sinusoidal fit",
NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineParameter(OutputTable, "sinefitPhase", NULL, xUnits, "Phase from sinusoidal fit",
NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineParameter(OutputTable, "sinefitRmsResidual", NULL, yUnits, "rms residual from sinusoidal fit",
NULL, SDDS_DOUBLE, 0)<0 ||
!SDDS_WriteLayout(OutputTable))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
void SetupOutputFile(SDDS_DATASET *SDDS_out, SDDS_DATASET *SDDS_in, char *outputFile, char *xCol, char *yCol, char *zCol)
{
char tmpstr[256], *xUnits=NULL, *yUnits=NULL;
if (!SDDS_InitializeOutput(SDDS_out, SDDS_BINARY,1, NULL, NULL, outputFile))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_DefineSimpleParameter(SDDS_out, "Variable1Name", NULL, SDDS_STRING) ||
!SDDS_DefineSimpleParameter(SDDS_out, "Variable2Name", NULL, SDDS_STRING) ||
!SDDS_TransferColumnDefinition(SDDS_out, SDDS_in, xCol, NULL) ||
!SDDS_TransferColumnDefinition(SDDS_out, SDDS_in, yCol, NULL) ||
!SDDS_TransferColumnDefinition(SDDS_out, SDDS_in, zCol, NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (SDDS_GetColumnInformation(SDDS_in, "units", &xUnits, SDDS_GET_BY_NAME, xCol)!=SDDS_STRING ||
SDDS_GetColumnInformation(SDDS_in, "units", &yUnits, SDDS_GET_BY_NAME, yCol)!=SDDS_STRING)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sDimension", xCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, NULL, SDDS_LONG))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sDimension", yCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, NULL, SDDS_LONG))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sInterval", xCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, xUnits, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sInterval", yCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, yUnits, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sMinimum", xCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, xUnits, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sMinimum", yCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, yUnits, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sMaximum", xCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, xUnits, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
sprintf(tmpstr, "%sMaximum", yCol);
if (!SDDS_DefineSimpleParameter(SDDS_out, tmpstr, yUnits, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_WriteLayout(SDDS_out))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (xUnits) free(xUnits);
if (yUnits) free(yUnits);
}
long setupOutputFile(SDDS_DATASET *outData, char *output, SDDS_DATASET *inData,
STAT_DEFINITION *stat, long stats)
{
long column;
char s[SDDS_MAXLINE];
if (!SDDS_InitializeCopy(outData, inData, output, "w"))
return 0;
for (column=0; column<stats; column++) {
if (!SDDS_TransferColumnDefinition(outData, inData, stat[column].sourceColumn[0],
stat[column].resultColumn)) {
sprintf(s, "Problem transferring definition of column %s to %s\n",
stat[column].sourceColumn[0], stat[column].resultColumn);
SDDS_SetError(s);
return 0;
}
if ((stat[column].resultIndex
= SDDS_GetColumnIndex(outData, stat[column].resultColumn))<0) {
sprintf(s, "Problem creating column %s", stat[column].resultColumn);
SDDS_SetError(s);
return 0;
}
if (stat[column].positionColumn) {
if (!SDDS_DefineSimpleColumn(outData, stat[column].positionColumn, NULL, SDDS_STRING)) {
sprintf(s, "Problem define column %s\n", stat[column].positionColumn);
SDDS_SetError(s);
return 0;
}
if ((stat[column].positionColumnIndex
= SDDS_GetColumnIndex(outData, stat[column].positionColumn))<0) {
sprintf(s, "Problem creating column %s", stat[column].positionColumn);
SDDS_SetError(s);
return 0;
}
}
if (!SDDS_ChangeColumnInformation
(outData, "description", "", SDDS_SET_BY_NAME, stat[column].resultColumn) ||
!SDDS_ChangeColumnInformation
(outData, "symbol", "", SDDS_SET_BY_NAME, stat[column].resultColumn) ||
!SDDS_ChangeColumnInformation
(outData, "type", "double", SDDS_SET_BY_NAME|SDDS_PASS_BY_STRING, stat[column].resultColumn)) {
sprintf(s, "Problem changing attributes of new column %s", stat[column].resultColumn);
SDDS_SetError(s);
return 0;
}
}
if (!SDDS_WriteLayout(outData))
return 0;
return 1;
}
int main(int argc, char **argv)
{
SDDS_DATASET inSet, outSet;
SCANNED_ARG *s_arg;
char *input, *output, *zeroName, **columnName;
long i_arg, i, pageReturned, rows, row, zrow;
int32_t columnNames;
double **indepData, *depenData, **slopeData, slope, offset;
unsigned long pipeFlags, flags, majorOrderFlag;
char s[SDDS_MAXLINE];
short columnMajorOrder=-1;
SDDS_RegisterProgramName(argv[0]);
argc = scanargs(&s_arg, argc, argv);
if (argc<2 || argc>(2+N_OPTIONS))
bomb(NULL, USAGE);
flags = pipeFlags = 0;
input = output = NULL;
zeroName = NULL;
columnName = NULL;
columnNames = 0;
offset = 0;
for (i_arg=1; i_arg<argc; i_arg++) {
if (s_arg[i_arg].arg_type==OPTION) {
switch (match_string(s_arg[i_arg].list[0], option, N_OPTIONS, 0)) {
case CLO_MAJOR_ORDER:
majorOrderFlag=0;
s_arg[i_arg].n_items--;
if (s_arg[i_arg].n_items>0 &&
(!scanItemList(&majorOrderFlag, s_arg[i_arg].list+1, &s_arg[i_arg].n_items, 0,
"row", -1, NULL, 0, SDDS_ROW_MAJOR_ORDER,
"column", -1, NULL, 0, SDDS_COLUMN_MAJOR_ORDER,
NULL)))
SDDS_Bomb("invalid -majorOrder syntax/values");
if (majorOrderFlag&SDDS_COLUMN_MAJOR_ORDER)
columnMajorOrder=1;
else if (majorOrderFlag&SDDS_ROW_MAJOR_ORDER)
columnMajorOrder=0;
break;
case CLO_PIPE:
if (!processPipeOption(s_arg[i_arg].list+1, s_arg[i_arg].n_items-1, &pipeFlags))
SDDS_Bomb("invalid -pipe syntax");
break;
case CLO_ZEROESOF:
if (s_arg[i_arg].n_items!=2)
SDDS_Bomb("invalid -zeroesOf syntax");
zeroName = s_arg[i_arg].list[1];
break;
case CLO_COLUMNS:
if (s_arg[i_arg].n_items<2)
SDDS_Bomb("invalid -columns syntax");
columnName = tmalloc(sizeof(*columnName)*(columnNames = s_arg[i_arg].n_items-1));
for (i=0; i<columnNames; i++)
columnName[i] = s_arg[i_arg].list[i+1];
break;
case CLO_SLOPEOUTPUT:
flags |= FL_SLOPEOUTPUT;
break;
case CLO_OFFSET:
if (s_arg[i_arg].n_items!=2 || sscanf(s_arg[i_arg].list[1], "%le", &offset)!=1)
SDDS_Bomb("invalid -offset syntax");
break;
default:
fprintf(stderr, "Error (%s): unknown/ambiguous option: %s\n", argv[0], s_arg[i_arg].list[0]);
exit(1);
break;
}
}
else {
if (input==NULL)
input = s_arg[i_arg].list[0];
else if (output==NULL)
output = s_arg[i_arg].list[0];
else
SDDS_Bomb("too many filenames");
}
}
processFilenames("sddszerofind", &input, &output, pipeFlags, 0, NULL);
if (!zeroName)
SDDS_Bomb("-zeroesOf option must be given");
if (!SDDS_InitializeInput(&inSet, input))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!resolveColumnNames(&inSet, zeroName, &columnName, &columnNames) ||
!SDDS_InitializeOutput(&outSet, SDDS_BINARY, 0, NULL, "sddszerofind output", output) ||
!SDDS_TransferColumnDefinition(&outSet, &inSet, zeroName, NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (columnMajorOrder!=-1)
outSet.layout.data_mode.column_major = columnMajorOrder;
else
outSet.layout.data_mode.column_major = inSet.layout.data_mode.column_major;
for (i=0; i<columnNames; i++) {
sprintf(s, "%sSlope", columnName[i]);
if (!SDDS_TransferColumnDefinition(&outSet, &inSet, columnName[i], NULL) ||
(flags&FL_SLOPEOUTPUT &&
!SDDS_TransferColumnDefinition(&outSet, &inSet, columnName[i], s)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_WriteLayout(&outSet))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
indepData = tmalloc(sizeof(*indepData)*columnNames);
slopeData = tmalloc(sizeof(*slopeData)*columnNames);
while ((pageReturned=SDDS_ReadPage(&inSet))>0) {
if (!SDDS_StartPage(&outSet, 0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if ((rows=SDDS_CountRowsOfInterest(&inSet))>1) {
if (!(depenData = SDDS_GetColumnInDoubles(&inSet, zeroName)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (i=0; i<columnNames; i++) {
if (!(indepData[i] = SDDS_GetColumnInDoubles(&inSet, columnName[i])))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (flags&FL_SLOPEOUTPUT)
slopeData[i] = tmalloc(sizeof(**slopeData)*rows);
}
if (offset)
for (row=0; row<rows; row++)
depenData[row] += offset;
for (zrow=row=0; row<rows-1; row++) {
if ((depenData[row]<=0 && depenData[row+1]>=0) ||
(depenData[row]>=0 && depenData[row+1]<=0)) {
for (i=0; i<columnNames; i++) {
if (indepData[i][row]==indepData[i][row+1]) {
if (flags&FL_SLOPEOUTPUT)
slopeData[i][zrow] = DBL_MAX;
indepData[i][zrow] = indepData[i][row];
}
else {
slope = (depenData[row+1]-depenData[row])/(indepData[i][row+1]-indepData[i][row]);
if (flags&FL_SLOPEOUTPUT)
slopeData[i][zrow] = slope;
if (slope)
indepData[i][zrow] = indepData[i][row] - depenData[row]/slope;
else
indepData[i][zrow] = (indepData[i][row] + indepData[i][row+1])/2;
}
}
depenData[zrow] = -offset;
zrow++;
}
}
if (zrow) {
if (!SDDS_LengthenTable(&outSet, zrow) ||
!SDDS_SetColumnFromDoubles(&outSet, SDDS_SET_BY_NAME, depenData, zrow, zeroName))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (i=0; i<columnNames; i++) {
sprintf(s, "%sSlope", columnName[i]);
if (!SDDS_SetColumnFromDoubles(&outSet, SDDS_SET_BY_NAME, indepData[i], zrow, columnName[i]) ||
(flags&FL_SLOPEOUTPUT &&
!SDDS_SetColumnFromDoubles(&outSet, SDDS_SET_BY_NAME, slopeData[i], zrow, s)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
}
free(depenData);
for (i=0; i<columnNames; i++)
free(indepData[i]);
if (flags&FL_SLOPEOUTPUT)
for (i=0; i<columnNames; i++)
free(slopeData[i]);
}
if (!SDDS_WritePage(&outSet))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_Terminate(&inSet) || !SDDS_Terminate(&outSet)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
return(0);
}
int main(int argc, char **argv)
{
int iArg;
char *indepQuantity, **depenQuantity, *fileValuesQuantity, *fileValuesFile, **exclude;
long depenQuantities, monotonicity, excludes;
char *input, *output;
long i, j, rows, readCode, order, valuesReadCode, fillIn, row;
long sequencePoints, combineDuplicates, branch;
int32_t *rowFlag;
double sequenceStart, sequenceEnd;
double sequenceSpacing;
unsigned long flags, interpCode, printFlags, forceMonotonic;
SCANNED_ARG *scanned;
SDDS_DATASET SDDSin, SDDSout, SDDSvalues;
OUTRANGE_CONTROL aboveRange, belowRange;
double *atValue;
long atValues, interpPoints, doNotRead, parallelPages;
double *indepValue, **depenValue, *interpPoint, **outputData;
unsigned long pipeFlags;
FILE *fpPrint;
short interpShort=0, interpShortOrder=-1, *shortValue=NULL;
long nextPos;
SDDS_RegisterProgramName(argv[0]);
argc = scanargs(&scanned, argc, argv);
if (argc<3 || argc>(3+CLO_OPTIONS))
bomb(NULL, USAGE);
atValue = NULL;
atValues = fillIn = 0;
output = input = NULL;
combineDuplicates = branch = sequencePoints = parallelPages = 0;
indepQuantity = NULL;
depenQuantity = exclude = NULL;
depenQuantities = excludes = 0;
aboveRange.flags = belowRange.flags = OUTRANGE_SATURATE;
order = 1;
readCode = interpPoints = 0;
fileValuesFile = fileValuesQuantity = NULL;
sequenceStart = sequenceEnd = sequenceSpacing = 0;
printFlags = pipeFlags = 0;
forceMonotonic = 0;
indepValue = interpPoint = NULL;
depenValue = outputData = NULL;
for (iArg=1; iArg<argc; iArg++) {
if (scanned[iArg].arg_type==OPTION) {
/* process options here */
switch (match_string(scanned[iArg].list[0], option, CLO_OPTIONS, 0)) {
case CLO_ORDER:
if (scanned[iArg].n_items!=2 || sscanf(scanned[iArg].list[1], "%ld", &order)!=1 ||
order<1)
SDDS_Bomb("invalid -order syntax/value");
break;
case CLO_ATVALUES:
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -atValues syntax");
if (atValue)
SDDS_Bomb("give -atValues only once");
atValue = tmalloc(sizeof(*atValue)*(atValues=scanned[iArg].n_items-1));
for (i=0; i<atValues; i++)
if (sscanf(scanned[iArg].list[i+1], "%lf", &atValue[i])!=1)
SDDS_Bomb("invalid -atValues value");
break;
case CLO_INTERP_SHORT:
if (scanned[iArg].n_items==2) {
if (sscanf(scanned[iArg].list[1], "%hd", &interpShortOrder)!=1)
SDDS_Bomb("invalid -interpShort value");
}
interpShort = 1;
break;
case CLO_SEQUENCE:
if ((scanned[iArg].n_items!=2 && scanned[iArg].n_items!=4) ||
sscanf(scanned[iArg].list[1], "%ld", &sequencePoints)!=1 || sequencePoints<2)
SDDS_Bomb("invalid -sequence syntax/value");
if (scanned[iArg].n_items==4 &&
(sscanf(scanned[iArg].list[2], "%lf", &sequenceStart)!=1 ||
sscanf(scanned[iArg].list[3], "%lf", &sequenceEnd)!=1))
SDDS_Bomb("invalid -sequence syntax/value");
if (sequenceSpacing)
SDDS_Bomb("give only one of -sequence and -equispaced");
break;
case CLO_EQUISPACED:
if ((scanned[iArg].n_items!=2 && scanned[iArg].n_items!=4) ||
sscanf(scanned[iArg].list[1], "%lf", &sequenceSpacing)!=1 || sequenceSpacing<=0)
SDDS_Bomb("invalid -equispaced syntax/value");
if (scanned[iArg].n_items==4 &&
(sscanf(scanned[iArg].list[2], "%lf", &sequenceStart)!=1 ||
sscanf(scanned[iArg].list[3], "%lf", &sequenceEnd)!=1))
SDDS_Bomb("invalid -equispaced syntax/values");
if (sequencePoints)
SDDS_Bomb("give only one of -sequence and -equispaced");
break;
case CLO_COLUMNS:
if (indepQuantity)
SDDS_Bomb("only one -columns option may be given");
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -columns syntax");
indepQuantity = scanned[iArg].list[1];
if (scanned[iArg].n_items>=2) {
depenQuantity = tmalloc(sizeof(*depenQuantity)*(depenQuantities=scanned[iArg].n_items-2));
for (i=0; i<depenQuantities; i++)
depenQuantity[i] = scanned[iArg].list[i+2];
}
break;
case CLO_PRINTOUT:
if ((scanned[iArg].n_items-=1)>=1) {
if (!scanItemList(&printFlags, scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"bare", -1, NULL, 0, BARE_PRINTOUT,
"stdout", -1, NULL, 0, STDOUT_PRINTOUT,
NULL))
SDDS_Bomb("invalid -printout syntax");
}
if (!(printFlags&BARE_PRINTOUT))
printFlags |= NORMAL_PRINTOUT;
break;
case CLO_FILEVALUES:
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -fileValues syntax");
fileValuesFile = scanned[iArg].list[1];
scanned[iArg].n_items -= 2;
if (!scanItemList(&flags, scanned[iArg].list+2, &scanned[iArg].n_items, 0,
"column", SDDS_STRING, &fileValuesQuantity, 1, 0,
"parallelpages", -1, NULL, 0, FILEVALUES_PARALLEL_PAGES,
NULL))
SDDS_Bomb("invalid -fileValues syntax");
if (flags&FILEVALUES_PARALLEL_PAGES)
parallelPages = 1;
break;
case CLO_COMBINEDUPLICATES:
SDDS_Bomb("-combineDuplicates option not implemented yet--send email to [email protected]");
combineDuplicates = 1;
break;
case CLO_BRANCH:
SDDS_Bomb("-branch option not implemented yet--send email to [email protected]");
if (scanned[iArg].n_items!=2 || sscanf(scanned[iArg].list[1], "%ld", &branch)!=1 ||
branch<1)
SDDS_Bomb("invalid -branch syntax/value");
break;
case CLO_BELOWRANGE:
if ((scanned[iArg].n_items-=1)<1 ||
!scanItemList(&belowRange.flags, scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"value", SDDS_DOUBLE, &belowRange.value, 1, OUTRANGE_VALUE,
"skip", -1, NULL, 0, OUTRANGE_SKIP,
"saturate", -1, NULL, 0, OUTRANGE_SATURATE,
"extrapolate", -1, NULL, 0, OUTRANGE_EXTRAPOLATE,
"wrap", -1, NULL, 0, OUTRANGE_WRAP,
"abort", -1, NULL, 0, OUTRANGE_ABORT,
"warn", -1, NULL, 0, OUTRANGE_WARN,
NULL))
SDDS_Bomb("invalid -belowRange syntax/value");
if ((i=bitsSet(belowRange.flags&
(OUTRANGE_VALUE|OUTRANGE_SKIP|OUTRANGE_SATURATE|OUTRANGE_EXTRAPOLATE|OUTRANGE_WRAP|OUTRANGE_ABORT)))>1)
SDDS_Bomb("incompatible keywords given for -belowRange");
if (i!=1)
belowRange.flags |= OUTRANGE_SATURATE;
break;
case CLO_ABOVERANGE:
if ((scanned[iArg].n_items-=1)<1 ||
!scanItemList(&aboveRange.flags, scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"value", SDDS_DOUBLE, &aboveRange.value, 1, OUTRANGE_VALUE,
"skip", -1, NULL, 0, OUTRANGE_SKIP,
"saturate", -1, NULL, 0, OUTRANGE_SATURATE,
"extrapolate", -1, NULL, 0, OUTRANGE_EXTRAPOLATE,
"wrap", -1, NULL, 0, OUTRANGE_WRAP,
"abort", -1, NULL, 0, OUTRANGE_ABORT,
"warn", -1, NULL, 0, OUTRANGE_WARN,
NULL))
SDDS_Bomb("invalid -aboveRange syntax/value");
if ((i=bitsSet(aboveRange.flags&
(OUTRANGE_VALUE|OUTRANGE_SKIP|OUTRANGE_SATURATE|OUTRANGE_EXTRAPOLATE|OUTRANGE_WRAP|OUTRANGE_ABORT)))>1)
SDDS_Bomb("incompatible keywords given for -aboveRange");
if (i!=1)
aboveRange.flags |= OUTRANGE_SATURATE;
break;
case CLO_PIPE:
if (!processPipeOption(scanned[iArg].list+1, scanned[iArg].n_items-1, &pipeFlags))
SDDS_Bomb("invalid -pipe syntax");
break;
case CLO_EXCLUDE:
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -exclude syntax");
moveToStringArray(&exclude, &excludes, scanned[iArg].list+1, scanned[iArg].n_items-1);
break;
case CLO_FORCEMONOTONIC:
if ((scanned[iArg].n_items-=1)>0) {
if (!scanItemList(&forceMonotonic, scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"increasing", -1, NULL, 0, FORCE_INCREASING,
"decreasing", -1, NULL, 0, FORCE_DECREASING,
NULL) || bitsSet(forceMonotonic)!=1)
SDDS_Bomb("invalid -forceMonotonic syntax/value");
}
else
forceMonotonic = FORCE_MONOTONIC;
break;
case CLO_FILLIN:
fillIn = 1;
break;
default:
fprintf(stderr, "error: unknown/ambiguous option: %s\n",
scanned[iArg].list[0]);
exit(1);
break;
}
}
else {
if (!input)
input = scanned[iArg].list[0];
else if (!output)
output = scanned[iArg].list[0];
else
SDDS_Bomb("too many filenames seen");
}
}
processFilenames("sddsinterp", &input, &output, pipeFlags, 0, NULL);
fpPrint = stderr;
if (printFlags&STDOUT_PRINTOUT)
fpPrint = stdout;
if (!indepQuantity)
SDDS_Bomb("supply the independent quantity name with the -columns option");
if ((atValues?1:0)+(fileValuesFile?1:0)+(sequencePoints?1:0)+fillIn+(sequenceSpacing>0?1:0) != 1)
SDDS_Bomb("you must give one and only one of -atValues, -fileValues, -sequence, -equispaced, and -fillIn");
if (!SDDS_InitializeInput(&SDDSin, input))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
excludes = appendToStringArray(&exclude, excludes, indepQuantity);
if (!depenQuantities)
depenQuantities = appendToStringArray(&depenQuantity, depenQuantities, "*");
if ((depenQuantities=expandColumnPairNames(&SDDSin, &depenQuantity, NULL, depenQuantities,
exclude, excludes, FIND_NUMERIC_TYPE, 0))<=0) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
SDDS_Bomb("no dependent quantities selected for interpolation");
}
if (fileValuesFile && !SDDS_InitializeInput(&SDDSvalues, fileValuesFile))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_InitializeOutput(&SDDSout, SDDS_BINARY, 0, NULL, "sddsinterp output", output))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_TransferColumnDefinition(&SDDSout, &SDDSin, indepQuantity, NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
/*
if (fileValuesQuantity && strcmp(fileValuesQuantity, indepQuantity)!=0 &&
!SDDS_TransferColumnDefinition(&SDDSout, &SDDSvalues, fileValuesQuantity, NULL)) {
fprintf(stderr, "problem creating -fileValues column %s\n", fileValuesQuantity);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
*/
if (SDDS_DefineParameter(&SDDSout, "InterpDataPage", NULL, NULL,
"Page of interpolation data file used to create this page",
NULL, SDDS_LONG, NULL)<0 ||
SDDS_DefineParameter(&SDDSout, "InterpPointsPage", NULL, NULL,
"Page of interpolation points file used to create this page",
NULL, SDDS_LONG, NULL)<0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (i=0; i<depenQuantities; i++)
if (!SDDS_TransferColumnDefinition(&SDDSout, &SDDSin, depenQuantity[i], NULL)) {
fprintf(stderr, "problem creating interpolated-output column %s\n", depenQuantity[i]);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_TransferAllParameterDefinitions(&SDDSout, &SDDSin, SDDS_TRANSFER_KEEPOLD) ||
!SDDS_WriteLayout(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
doNotRead = 0;
interpPoint = NULL;
outputData = tmalloc(sizeof(*outputData)*(depenQuantities));
depenValue = tmalloc(sizeof(*depenValue)*(depenQuantities));
rowFlag = NULL;
valuesReadCode = 0;
while (doNotRead || (readCode=SDDS_ReadPage(&SDDSin))>0) {
rows = SDDS_CountRowsOfInterest(&SDDSin);
if (!(indepValue = SDDS_GetColumnInDoubles(&SDDSin, indepQuantity)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (atValues) {
interpPoint = atValue;
interpPoints = atValues;
}
else if (fileValuesFile) {
if (interpPoint)
free(interpPoint);
if ((valuesReadCode=SDDS_ReadPage(&SDDSvalues))==0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
else if (valuesReadCode==-1) {
if (parallelPages) {
fprintf(stderr, "warning: file %s ends before file %s\n", fileValuesFile, input);
break;
}
else {
/* "rewind" the values file */
if (!SDDS_Terminate(&SDDSvalues) ||
!SDDS_InitializeInput(&SDDSvalues, fileValuesFile))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if ((valuesReadCode=SDDS_ReadPage(&SDDSvalues))<1) {
fprintf(stderr, "error: unable to (re)read file %s\n", fileValuesFile);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
/* read the next page of the interpolation data file */
if ((readCode=SDDS_ReadPage(&SDDSin))<1) {
if (readCode==-1)
break;
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
rows = SDDS_CountRowsOfInterest(&SDDSin);
if (indepValue)
free(indepValue);
if (!(indepValue = SDDS_GetColumnInDoubles(&SDDSin, indepQuantity)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
}
if (!parallelPages)
doNotRead = 1;
interpPoints = SDDS_CountRowsOfInterest(&SDDSvalues);
interpPoint = SDDS_GetColumnInDoubles(&SDDSvalues, fileValuesQuantity);
if (SDDS_NumberOfErrors())
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
else if (sequencePoints || sequenceSpacing) {
if (interpPoint)
free(interpPoint);
interpPoints = sequencePoints;
if (!(interpPoint = makeSequence(&interpPoints, sequenceStart, sequenceEnd, sequenceSpacing,
indepValue, rows)))
exit(1);
} else {
/* fillIn interpolation */
if (interpPoint)
free(interpPoint);
if (!(interpPoint = makeFillInSequence(indepValue, rows, &interpPoints)))
exit(1);
}
for (i=0; i<depenQuantities; i++)
outputData[i] = tmalloc(sizeof(*outputData[i])*interpPoints);
rowFlag = trealloc(rowFlag, sizeof(*rowFlag)*interpPoints);
for (j=0; j<interpPoints; j++)
rowFlag[j] = 1;
for (i=0; i<depenQuantities; i++) {
if (!(depenValue[i] = SDDS_GetColumnInDoubles(&SDDSin, depenQuantity[i])))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (forceMonotonic)
rows = forceMonotonicity(indepValue, depenValue, depenQuantities, rows, forceMonotonic);
else if (combineDuplicates)
rows = combineDuplicatePoints(indepValue, depenValue, depenQuantities, rows, 0.0);
if ((monotonicity=checkMonotonicity(indepValue, rows))==0)
SDDS_Bomb("independent data values do not change monotonically or repeated independent values exist");
if (interpShort)
shortValue = malloc(sizeof(*shortValue)*rows);
for (i=0; i<depenQuantities; i++) {
if (interpShort) {
for (row=0; row<rows; row++) {
shortValue[row] = (short)depenValue[i][row];
}
}
for (j=0; j<interpPoints; j++) {
if (!interpShort) {
outputData[i][j] = interpolate(depenValue[i], indepValue, rows, interpPoint[j], &belowRange,
&aboveRange, order, &interpCode, monotonicity);
} else {
outputData[i][j] = (double)interp_short(shortValue, indepValue, rows, interpPoint[j], 0, -1,
&interpCode, &nextPos);
}
if (interpCode) {
if (interpCode&OUTRANGE_ABORT) {
fprintf(stderr, "error: value %e is out of range for column %s\n",
interpPoint[j], depenQuantity[i]);
exit(1);
}
if (interpCode&OUTRANGE_WARN)
fprintf(stderr, "warning: value %e is out of range for column %s\n",
interpPoint[j], depenQuantity[i]);
if (interpCode&OUTRANGE_SKIP)
rowFlag[j] = 0;
}
}
}
if (interpShort)
free(shortValue);
if (!SDDS_StartPage(&SDDSout, interpPoints) ||
!SDDS_SetColumnFromDoubles(&SDDSout, SDDS_SET_BY_NAME, interpPoint, interpPoints, indepQuantity))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_SetParameters(&SDDSout, SDDS_BY_NAME|SDDS_PASS_BY_VALUE,
"InterpDataPage", readCode,
"InterpPointsPage", valuesReadCode, NULL) ||
!SDDS_CopyParameters(&SDDSout, &SDDSin))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (i=0; i<depenQuantities; i++)
if (!SDDS_SetColumnFromDoubles(&SDDSout, SDDS_SET_BY_NAME, outputData[i], interpPoints, depenQuantity[i]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_AssertRowFlags(&SDDSout, SDDS_FLAG_ARRAY, rowFlag, rows) || !SDDS_WritePage(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (printFlags&BARE_PRINTOUT) {
for (j=0; j<interpPoints; j++)
if (rowFlag[j]) {
fprintf(fpPrint, "%21.15e ", interpPoint[j]);
for (i=0; i<depenQuantities; i++)
fprintf(fpPrint, "%21.15e ", outputData[i][j]);
fputc('\n', fpPrint);
}
}
else if (printFlags&NORMAL_PRINTOUT) {
for (j=0; j<interpPoints; j++)
if (rowFlag[j]) {
fprintf(fpPrint, "%s=%21.15e ", indepQuantity, interpPoint[j]);
for (i=0; i<depenQuantities; i++)
fprintf(fpPrint, "%s=%21.15e ", depenQuantity[i], outputData[i][j]);
fputc('\n', fpPrint);
}
}
if (indepValue) free(indepValue);
indepValue = NULL;
for (i=0; i<depenQuantities; i++) {
if (outputData[i]) free(outputData[i]);
outputData[i] = NULL;
if (depenValue[i]) free(depenValue[i]);
depenValue[i] = NULL;
}
if (fileValuesFile) {
if (interpPoint) free(interpPoint);
interpPoint = NULL;
}
if (rowFlag) free(rowFlag);
rowFlag = NULL;
}
if (!SDDS_Terminate(&SDDSin)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
if (!SDDS_Terminate(&SDDSout)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
if (fileValuesFile) {
if (!SDDS_Terminate(&SDDSvalues)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
}
return 0;
}
int main(int argc, char **argv)
{
int iArg;
char **outputColumn, **difColumn;
char *indepColumn, **depenColumn, **exclude;
long depenColumns, excludes;
char *input, *output;
long i, rows, readCode, optionCode;
unsigned long flags, pipeFlags;
SCANNED_ARG *scanned;
SDDS_DATASET SDDSin, SDDSout;
double *timeData, *inputData, *outputData;
FILTER_STAGE *filterStage;
long filterStages, totalFilters;
SDDS_RegisterProgramName(argv[0]);
argc = scanargs(&scanned, argc, argv);
if (argc<3 || argc>(3+N_OPTIONS))
bomb(NULL, USAGE);
output = input = NULL;
flags = pipeFlags = 0;
indepColumn = NULL;
depenColumn = exclude = NULL;
depenColumns = excludes = 0;
if (!(filterStage = (FILTER_STAGE*)calloc(1, sizeof(*filterStage))))
SDDS_Bomb("allocation failure");
filterStage->filter = NULL;
filterStage->filters = 0;
filterStages = 1;
totalFilters = 0;
for (iArg=1; iArg<argc; iArg++) {
if (scanned[iArg].arg_type==OPTION) {
/* process options here */
switch (optionCode=match_string(scanned[iArg].list[0], option, N_OPTIONS, 0)) {
case SET_PIPE:
if (!processPipeOption(scanned[iArg].list+1, scanned[iArg].n_items-1, &pipeFlags))
SDDS_Bomb("invalid -pipe syntax");
break;
case SET_COLUMNS:
if (indepColumn)
SDDS_Bomb("only one -columns option may be given");
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -columns syntax");
indepColumn = scanned[iArg].list[1];
if (scanned[iArg].n_items>=2) {
depenColumn = tmalloc(sizeof(*depenColumn)*(depenColumns=scanned[iArg].n_items-2));
for (i=0; i<depenColumns; i++)
depenColumn[i] = scanned[iArg].list[i+2];
}
break;
case SET_THRESHOLD:
case SET_HIGHPASS:
case SET_LOWPASS:
case SET_NOTCH:
case SET_BANDPASS:
case SET_FILTERFILE:
case SET_CLIPFREQ:
addFilter(filterStage+filterStages-1, optionCode, scanned+iArg);
totalFilters++;
break;
case SET_CASCADE:
if (filterStages==0)
SDDS_Bomb("-cascade option precedes all filter definitions");
if (!(filterStage = SDDS_Realloc(filterStage, (filterStages+1)*sizeof(*filterStage))))
SDDS_Bomb("allocation failure");
filterStage[filterStages].filter = NULL;
filterStage[filterStages].filters = 0;
filterStages++;
break;
case SET_NEWCOLUMNS:
flags |= FL_NEWCOLUMNS;
break;
case SET_DIFFERENCECOLUMNS:
flags |= FL_DIFCOLUMNS;
break;
case SET_EXCLUDE:
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -exclude syntax");
moveToStringArray(&exclude, &excludes, scanned[iArg].list+1, scanned[iArg].n_items-1);
break;
default:
fprintf(stderr, "error: unknown/ambiguous option: %s (%s)\n",
scanned[iArg].list[0], argv[0]);
exit(1);
break;
}
}
else {
if (!input)
input = scanned[iArg].list[0];
else if (!output)
output = scanned[iArg].list[0];
else
SDDS_Bomb("too many filenames seen");
}
}
processFilenames("sddsfdfilter", &input, &output, pipeFlags, 0, NULL);
if (!totalFilters)
fputs("warning: no filters specified (sddsfdfilter)\n", stderr);
if (!indepColumn)
SDDS_Bomb("supply the independent column name with the -columns option");
if (!SDDS_InitializeInput(&SDDSin, input))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (SDDS_CheckColumn(&SDDSin, indepColumn, NULL, SDDS_ANY_NUMERIC_TYPE, stderr)!=SDDS_CHECK_OKAY)
exit(1);
excludes = appendToStringArray(&exclude, excludes, indepColumn);
if (!depenColumns)
depenColumns = appendToStringArray(&depenColumn, depenColumns, "*");
if ((depenColumns=expandColumnPairNames(&SDDSin, &depenColumn, NULL, depenColumns, exclude, excludes,
FIND_NUMERIC_TYPE, 0))<=0) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
SDDS_Bomb("No quantities selected to filter");
}
if (!SDDS_InitializeCopy(&SDDSout, &SDDSin, output, "w"))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (flags&FL_NEWCOLUMNS) {
outputColumn = tmalloc(sizeof(*outputColumn)*depenColumns);
for (i=0; i<depenColumns; i++) {
outputColumn[i] = tmalloc(sizeof(**outputColumn)*(strlen(depenColumn[i])+1+strlen("Filtered")));
sprintf(outputColumn[i], "%sFiltered", depenColumn[i]);
if (!SDDS_TransferColumnDefinition(&SDDSout, &SDDSin, depenColumn[i], outputColumn[i]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
}
else
outputColumn=depenColumn;
difColumn = NULL;
if (flags&FL_DIFCOLUMNS) {
difColumn = tmalloc(sizeof(*difColumn)*depenColumns);
for (i=0; i<depenColumns; i++) {
difColumn[i] = tmalloc(sizeof(**difColumn)*(strlen(depenColumn[i])+1+strlen("Difference")));
sprintf(difColumn[i], "%sDifference", depenColumn[i]);
if (!SDDS_TransferColumnDefinition(&SDDSout, &SDDSin, depenColumn[i], difColumn[i]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
}
if (!SDDS_WriteLayout(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
outputData = NULL;
while ((readCode=SDDS_ReadPage(&SDDSin))>0) {
if (!SDDS_CopyPage(&SDDSout, &SDDSin))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if ((rows = SDDS_CountRowsOfInterest(&SDDSin))<0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (rows) {
if (!(timeData = SDDS_GetColumnInDoubles(&SDDSin, indepColumn)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!(outputData = SDDS_Realloc(outputData, sizeof(*outputData)*rows)))
SDDS_Bomb("allocation failure");
for (i=0; i<depenColumns; i++) {
if (!(inputData = SDDS_GetColumnInDoubles(&SDDSin, depenColumn[i])))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!applyFilters(outputData, inputData, timeData, rows, filterStage, filterStages))
exit(1);
if (!SDDS_SetColumnFromDoubles(&SDDSout, SDDS_BY_NAME, outputData, rows, outputColumn[i]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (flags&FL_DIFCOLUMNS) {
long j;
for (j=0; j<rows; j++)
outputData[j] = inputData[j] - outputData[j];
if (!SDDS_SetColumnFromDoubles(&SDDSout, SDDS_BY_NAME, outputData, rows, difColumn[i]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
free(inputData);
}
free(timeData);
}
if (!SDDS_WritePage(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
free(outputData);
for(i=0;i<depenColumns;i++) {
free(depenColumn[i]);
if (flags&FL_NEWCOLUMNS)
free(outputColumn[i]);
if (flags&FL_DIFCOLUMNS)
free(difColumn[i]);
}
for(i=0;i<excludes;i++)
free(exclude[i]);
free(indepColumn);
if (flags&FL_NEWCOLUMNS)
free(outputColumn);
free(depenColumn);
if (flags&FL_DIFCOLUMNS)
free(difColumn);
free(exclude);
for(i=0;i<filterStages;i++) {
long j;
for(j=0;j<filterStage[i].filters;j++) {
switch (filterStage[i].filter[j].filterType) {
case SET_FILTERFILE :
free( ((FILE_FILTER*) (filterStage[i].filter[j].filter))->freqData);
free( ((FILE_FILTER*) (filterStage[i].filter[j].filter))->magData);
free( ((FILE_FILTER*) (filterStage[i].filter[j].filter))->imagData);
free( ((FILE_FILTER*) (filterStage[i].filter[j].filter))->realData);
break;
default :
break;
}
}
}
if (!SDDS_Terminate(&SDDSout) || !SDDS_Terminate(&SDDSin))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
return 0;
}
long setupOutputFile(SDDS_DATASET *SDDSout, SDDS_DATASET *SDDSin, char *output,
char ***yOutputName, char ***yOutputErrorName, char ***yOutputUnits,
char *xName, char *xErrorName,
char **yName, char **yErrorName, long yNames,
char **mainTemplate0, char **errorTemplate0, int32_t interval,
long order)
{
long i;
char *xSymbol, *ySymbol;
char *mainTemplate[3] = {"%yNameDeriv", "Derivative w.r.t. %xSymbol of %ySymbol", "d[%ySymbol]/d[%xSymbol]"};
char *errorTemplate[3] = {"%yNameDerivSigma", "Sigma of derivative w.r.t. %xSymbol of %ySymbol",
"Sigma[d[%ySymbol]/d[%xSymbol]]"};
char buffer[1024];
for (i=0; i<3; i++) {
if (!mainTemplate0[i]) {
if (order!=1) {
switch (i) {
case 0:
/* name */
sprintf(buffer, "%%yNameDeriv%ld", order);
break;
case 1:
/* description */
sprintf(buffer, "Derivative %ld w.r.t. %%xSymbol of %%ySymbol", order);
break;
case 2:
/* symbol */
sprintf(buffer, "d$a%ld$n[%%ySymbol]/d[%%xSymbol]$a%ld$n", order, order);
break;
}
cp_str(&mainTemplate[i], buffer);
}
} else
mainTemplate[i] = mainTemplate0[i];
if (errorTemplate0[i])
errorTemplate[i] = errorTemplate0[i];
}
*yOutputName = tmalloc(sizeof(*yOutputName)*yNames);
*yOutputErrorName = tmalloc(sizeof(*yOutputErrorName)*yNames);
*yOutputUnits = tmalloc(sizeof(*yOutputUnits)*yNames);
if (!SDDS_InitializeOutput(SDDSout, SDDS_BINARY, 0, NULL, "sddsderiv output", output) ||
SDDS_DefineParameter1(SDDSout, "derivInterval", NULL, NULL, NULL, NULL, SDDS_LONG, &interval)<0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_TransferColumnDefinition(SDDSout, SDDSin, xName, NULL) ||
(xErrorName && !SDDS_TransferColumnDefinition(SDDSout, SDDSin, xErrorName, NULL)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (SDDS_GetColumnInformation(SDDSout, "symbol", &xSymbol, SDDS_GET_BY_NAME, xName)!=SDDS_STRING) {
fprintf(stderr, "error: problem getting symbol for column %s\n", xName);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!xSymbol)
SDDS_CopyString(&xSymbol, xName);
for (i=0; i<yNames; i++) {
if (!SDDS_TransferColumnDefinition(SDDSout, SDDSin, yName[i], NULL)) {
fprintf(stderr, "error: problem transferring definition for column %s\n", yName[i]);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (SDDS_GetColumnInformation(SDDSout, "symbol", &ySymbol, SDDS_GET_BY_NAME, yName[i])!=SDDS_STRING) {
fprintf(stderr, "error: problem getting symbol for column %s\n", yName[i]);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!ySymbol || SDDS_StringIsBlank(ySymbol))
SDDS_CopyString(&ySymbol, yName[i]);
(*yOutputUnits)[i] = divideColumnUnits(SDDSout, yName[i], xName);
(*yOutputName)[i] = changeInformation(SDDSout, yName[i], yName[i], ySymbol, xName, xSymbol, mainTemplate,
(*yOutputUnits)[i]);
if (yErrorName || xErrorName) {
if (yErrorName && yErrorName[i]) {
if (!SDDS_TransferColumnDefinition(SDDSout, SDDSin, yErrorName[i], NULL)) {
fprintf(stderr, "error: problem transferring definition for column %s\n", yErrorName[i]);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
(*yOutputErrorName)[i] = changeInformation(SDDSout, yErrorName[i], yName[i], ySymbol, xName, xSymbol,
errorTemplate, (*yOutputUnits)[i]);
}
else {
if (!SDDS_TransferColumnDefinition(SDDSout, SDDSin, yName[i], NULL)) {
fprintf(stderr, "error: problem transferring error definition for column %s\n", yName[i]);
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
(*yOutputErrorName)[i] = changeInformation(SDDSout, yName[i], yName[i], ySymbol, xName, xSymbol,
errorTemplate, (*yOutputUnits)[i]);
}
}
else
(*yOutputErrorName)[i] = NULL;
}
if (!SDDS_TransferAllParameterDefinitions(SDDSout, SDDSin, SDDS_TRANSFER_KEEPOLD) ||
!SDDS_WriteLayout(SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
return(1);
}
int main(int argc, char **argv)
{
int iArg;
char *input, *output,*meanPar, *sigmaPar, *maxPar, *minPar;
long i, j, mainInputOpened, haltonID=0, requireInput=0;
unsigned long pipeFlags;
SCANNED_ARG *scanned;
SDDS_DATASET SDDSin, SDDSout, *SDDSptr;
long randomNumberSeed = 0;
SEQ_REQUEST *seqRequest;
long samples, values, seqRequests, randomizationGroups=0;
double *sample, *IVValue, *CDFValue;
char msgBuffer[1000];
RANDOMIZED_ORDER *randomizationData = NULL;
long verbose, optimalHalton=0;
SDDS_RegisterProgramName(argv[0]);
argc = scanargs(&scanned, argc, argv);
if (argc<2) {
fprintf(stderr, "%s%s%s\n", USAGE1, USAGE2, USAGE3);
return(1);
}
seqRequest = NULL;
seqRequests = 0;
output = input = NULL;
pipeFlags = 0;
samples = values = 0;
sample = IVValue = CDFValue = NULL;
verbose = 0;
maxPar = minPar = meanPar = sigmaPar = NULL;
for (iArg=1; iArg<argc; iArg++) {
if (scanned[iArg].arg_type==OPTION) {
/* process options here */
switch (match_string(scanned[iArg].list[0], option, CLO_OPTIONS, 0)) {
case CLO_COLUMNS:
if (scanned[iArg].n_items<3)
SDDS_Bomb("invalid -columns syntax");
if (!(seqRequest = SDDS_Realloc(seqRequest, sizeof(*seqRequest)*(seqRequests+1))))
SDDS_Bomb("memory allocation failure");
scanned[iArg].n_items -= 1;
memset(seqRequest+seqRequests, 0, sizeof(*seqRequest));
/*remove following pointer initialization because memset already initialize them */
seqRequest[seqRequests].randomizationGroup = -1;
seqRequest[seqRequests].factor = 1;
seqRequest[seqRequests].offset = 0;
if (!scanItemList(&seqRequest[seqRequests].flags,
scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"datafile", SDDS_STRING,
&seqRequest[seqRequests].dataFileName, 1, SEQ_DATAFILE,
"independentvariable", SDDS_STRING,
&seqRequest[seqRequests].indepName, 1, SEQ_INDEPNAME,
"cdf", SDDS_STRING,
&seqRequest[seqRequests].CDFName, 1, SEQ_CDFNAME,
"df", SDDS_STRING,
&seqRequest[seqRequests].DFName, 1, SEQ_DFNAME,
"output", SDDS_STRING,
&seqRequest[seqRequests].outputName, 1, SEQ_OUTPUTNAME,
"units", SDDS_STRING,
&seqRequest[seqRequests].units, 1, SEQ_UNITSGIVEN,
"haltonradix", SDDS_LONG,
&seqRequest[seqRequests].haltonRadix, 1, SEQ_HALTONRADIX,
"haltonoffset", SDDS_LONG,
&seqRequest[seqRequests].haltonOffset, 1, SEQ_HALTONOFFSET,
"randomize", -1, NULL, 0, SEQ_RANDOMIZE,
"group", SDDS_LONG,
&seqRequest[seqRequests].randomizationGroup, 1, SEQ_RANDOMGROUP,
"factor", SDDS_DOUBLE,
&seqRequest[seqRequests].factor, 1, 0,
"offset", SDDS_DOUBLE,
&seqRequest[seqRequests].offset, 1, 0,
NULL) ||
bitsSet(seqRequest[seqRequests].flags&(SEQ_INDEPNAME+SEQ_CDFNAME+SEQ_DFNAME))!=2)
SDDS_Bomb("invalid -columns syntax");
if (seqRequest[seqRequests].flags&SEQ_RANDOMGROUP &&
seqRequest[seqRequests].randomizationGroup<=0)
SDDS_Bomb("use a positive integer for the randomization group ID");
if (seqRequest[seqRequests].flags&SEQ_CDFNAME &&
seqRequest[seqRequests].flags&SEQ_DFNAME)
SDDS_Bomb("give df or cdf for -columns, not both");
if (seqRequest[seqRequests].flags&SEQ_HALTONRADIX &&
!is_prime(seqRequest[seqRequests].haltonRadix))
SDDS_Bomb("halton radix must be a prime number");
seqRequests ++;
scanned[iArg].n_items += 1;
break;
case CLO_GAUSSIAN:
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -gaussian syntax");
if (!(seqRequest = SDDS_Realloc(seqRequest, sizeof(*seqRequest)*(seqRequests+1))))
SDDS_Bomb("memory allocation failure");
memset(seqRequest+seqRequests, 0, sizeof(*seqRequest));
scanned[iArg].n_items -= 1;
seqRequest[seqRequests].randomizationGroup = -1;
seqRequest[seqRequests].mean = 0;
seqRequest[seqRequests].sigma = 1;
if (!scanItemList(&seqRequest[seqRequests].flags,
scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"columnName", SDDS_STRING, &seqRequest[seqRequests].outputName, 1, SEQ_OUTPUTNAME,
"meanValue", SDDS_STRING, &meanPar, 1, 0,
"sigmaValue", SDDS_STRING, &sigmaPar, 1, 0,
"units", SDDS_STRING, &seqRequest[seqRequests].units, 1, SEQ_UNITSGIVEN,
NULL))
SDDS_Bomb("invalid -gaussian syntax");
seqRequest[seqRequests].flags |= SEQ_DIRECT_GAUSSIAN;
if (!(seqRequest[seqRequests].flags&SEQ_OUTPUTNAME) || !(seqRequest[seqRequests].outputName))
SDDS_Bomb("columnName is not provided for gaussian distribution/");
if (meanPar) {
if (wild_match(meanPar, "@*"))
SDDS_CopyString(&seqRequest[seqRequests].meanPar, meanPar+1);
else if (!get_double(&seqRequest[seqRequests].mean, meanPar))
SDDS_Bomb("Invalid value given for mean value of -gaussian distribution.");
free(meanPar);
meanPar = NULL;
}
if (sigmaPar) {
if (wild_match(sigmaPar, "@*"))
SDDS_CopyString(&seqRequest[seqRequests].sigmaPar, sigmaPar+1);
else if (!get_double(&seqRequest[seqRequests].sigma, sigmaPar))
SDDS_Bomb("Invalid value given for sigma value of -gaussian distribution.");
free(sigmaPar);
sigmaPar = NULL;
}
seqRequests ++;
scanned[iArg].n_items += 1;
break;
case CLO_UNIFORM:
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -uniform syntax");
if (!(seqRequest = SDDS_Realloc(seqRequest, sizeof(*seqRequest)*(seqRequests+1))))
SDDS_Bomb("memory allocation failure");
memset(seqRequest+seqRequests, 0, sizeof(*seqRequest));
scanned[iArg].n_items -= 1;
memset(seqRequest+seqRequests, 0, sizeof(*seqRequest));
seqRequest[seqRequests].randomizationGroup = -1;
seqRequest[seqRequests].min = 0;
seqRequest[seqRequests].max = 1;
if (!scanItemList(&seqRequest[seqRequests].flags,
scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"columnName", SDDS_STRING, &seqRequest[seqRequests].outputName, 1, SEQ_OUTPUTNAME,
"minimumValue", SDDS_STRING, &minPar, 1, 0,
"maximumValue", SDDS_STRING, &maxPar, 1, 0,
"units", SDDS_STRING, &seqRequest[seqRequests].units, 1, SEQ_UNITSGIVEN,
NULL))
SDDS_Bomb("invalid -uniform syntax");
seqRequest[seqRequests].flags |= SEQ_DIRECT_UNIFORM;
if (!(seqRequest[seqRequests].flags&SEQ_OUTPUTNAME) || !(seqRequest[seqRequests].outputName))
SDDS_Bomb("columnName is not provided for uniform distribution/");
if (minPar) {
if (wild_match(minPar, "@*"))
SDDS_CopyString(&seqRequest[seqRequests].minPar, minPar+1);
else if (!get_double(&seqRequest[seqRequests].min, minPar))
SDDS_Bomb("Invalid value given for minimum value of -uniform distribution.");
free(minPar);
minPar = NULL;
}
if (maxPar) {
if (wild_match(maxPar, "@*"))
SDDS_CopyString(&seqRequest[seqRequests].maxPar, maxPar+1);
else if (!get_double(&seqRequest[seqRequests].max, maxPar))
SDDS_Bomb("Invalid value given for maximum value of -uniform distribution.");
free(maxPar);
maxPar = NULL;
}
seqRequests ++;
scanned[iArg].n_items += 1;
break;
case CLO_POISSON:
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -poisson syntax");
if (!(seqRequest = SDDS_Realloc(seqRequest, sizeof(*seqRequest)*(seqRequests+1))))
SDDS_Bomb("memory allocation failure");
memset(seqRequest+seqRequests, 0, sizeof(*seqRequest));
scanned[iArg].n_items -= 1;
memset(seqRequest+seqRequests, 0, sizeof(*seqRequest));
seqRequest[seqRequests].randomizationGroup = -1;
seqRequest[seqRequests].mean = 1;
if (!scanItemList(&seqRequest[seqRequests].flags,
scanned[iArg].list+1, &scanned[iArg].n_items, 0,
"columnName", SDDS_STRING, &seqRequest[seqRequests].outputName, 1, SEQ_OUTPUTNAME,
"meanValue", SDDS_STRING, &meanPar, 1, 0,
"units", SDDS_STRING, &seqRequest[seqRequests].units, 1, SEQ_UNITSGIVEN,
NULL))
SDDS_Bomb("invalid -poisson syntax");
seqRequest[seqRequests].flags |= SEQ_DIRECT_POISSON;
if (!(seqRequest[seqRequests].flags&SEQ_OUTPUTNAME) || !(seqRequest[seqRequests].outputName))
SDDS_Bomb("columnName is not provided for uniform distribution/");
if (meanPar) {
if (wild_match(meanPar, "@*"))
SDDS_CopyString(&seqRequest[seqRequests].meanPar, meanPar+1);
else if (!get_double(&seqRequest[seqRequests].mean, meanPar))
SDDS_Bomb("Invalid value given for mean value of -poisson distribution.");
free(meanPar);
meanPar = NULL;
}
seqRequests ++;
scanned[iArg].n_items += 1;
break;
case CLO_SAMPLES:
if (scanned[iArg].n_items!=2 ||
sscanf(scanned[iArg].list[1], "%ld", &samples)!=1 ||
samples<=0)
SDDS_Bomb("invalid -samples syntax");
break;
case CLO_SEED:
if (scanned[iArg].n_items!=2 ||
sscanf(scanned[iArg].list[1], "%ld", &randomNumberSeed)!=1 ||
randomNumberSeed<=0)
SDDS_Bomb("invalid -seed syntax");
break;
case CLO_PIPE:
if (!processPipeOption(scanned[iArg].list+1, scanned[iArg].n_items-1, &pipeFlags))
SDDS_Bomb("invalid -pipe syntax");
break;
case CLO_VERBOSE:
verbose = 1;
break;
case CLO_OPTIMAL_HALTON:
optimalHalton = 1;
break;
default:
fprintf(stderr, "error: unknown/ambiguous option: %s\n",
scanned[iArg].list[0]);
exit(1);
break;
}
}
else {
if (!input)
input = scanned[iArg].list[0];
else if (!output)
output = scanned[iArg].list[0];
else
SDDS_Bomb("too many filenames seen");
}
}
if (!seqRequests)
SDDS_Bomb("give one or more -columns options");
if (samples<1)
SDDS_Bomb("-samples option not given");
for (i=0; i<seqRequests; i++) {
if (!(seqRequest[i].flags&
(SEQ_DATAFILE|SEQ_DIRECT_GAUSSIAN|SEQ_DIRECT_UNIFORM|SEQ_DIRECT_POISSON)))
break;
}
if (i==seqRequests) {
/* all columns options have either their own input files or else use
* one of the "direct" distributions. Hence, we don't expect an input
* file.
*/
if (!input)
pipeFlags |= USE_STDIN; /* not really, but fakes out processFilenames */
if (input && !output) {
output = input;
input = NULL;
pipeFlags |= USE_STDIN;
if (fexists(output)) {
sprintf(msgBuffer, "%s exists already (sddssampledist)", output);
SDDS_Bomb(msgBuffer);
}
}
}
processFilenames("sddssampledist", &input, &output, pipeFlags, 0, NULL);
if (!SDDS_InitializeOutput(&SDDSout, SDDS_BINARY, 0, NULL, NULL, output))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (verbose)
fprintf(stderr, "Initialized output file %s\n", output);
/* open and check input files */
for (i=mainInputOpened=0; i<seqRequests; i++) {
if (seqRequest[i].flags&SEQ_DIRECT_GAUSSIAN) {
if (seqRequest[i].meanPar || seqRequest[i].sigmaPar) {
if (!mainInputOpened) {
if (!SDDS_InitializeInput(&SDDSin, input) ||
!SDDS_TransferAllParameterDefinitions(&SDDSout, &SDDSin, 0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
mainInputOpened = 1;
}
requireInput = 1;
SDDSptr = &SDDSin;
if ((seqRequest[i].meanPar &&
SDDS_CheckParameter(SDDSptr, seqRequest[i].meanPar, NULL, SDDS_ANY_NUMERIC_TYPE, stderr)!=SDDS_CHECK_OK) ||
(seqRequest[i].sigmaPar &&
SDDS_CheckParameter(SDDSptr, seqRequest[i].sigmaPar, NULL, SDDS_ANY_NUMERIC_TYPE, stderr)!=SDDS_CHECK_OK)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
}
if (!SDDS_DefineSimpleColumn(&SDDSout, seqRequest[i].outputName, NULL, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
} else if (seqRequest[i].flags&SEQ_DIRECT_UNIFORM) {
if (seqRequest[i].minPar || seqRequest[i].maxPar) {
if (!mainInputOpened) {
if (!SDDS_InitializeInput(&SDDSin, input) ||
!SDDS_TransferAllParameterDefinitions(&SDDSout, &SDDSin, 0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
mainInputOpened = 1;
}
requireInput = 1;
SDDSptr = &SDDSin;
if ((seqRequest[i].minPar &&
SDDS_CheckParameter(SDDSptr, seqRequest[i].minPar, NULL, SDDS_ANY_NUMERIC_TYPE, stderr)!=SDDS_CHECK_OK) ||
(seqRequest[i].maxPar &&
SDDS_CheckParameter(SDDSptr, seqRequest[i].maxPar, NULL, SDDS_ANY_NUMERIC_TYPE, stderr)!=SDDS_CHECK_OK)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
}
if (!SDDS_DefineSimpleColumn(&SDDSout, seqRequest[i].outputName, NULL, SDDS_DOUBLE))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
} else if (seqRequest[i].flags&SEQ_DIRECT_POISSON) {
if (seqRequest[i].meanPar) {
if (!mainInputOpened) {
if (!SDDS_InitializeInput(&SDDSin, input) ||
!SDDS_TransferAllParameterDefinitions(&SDDSout, &SDDSin, 0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
mainInputOpened = 1;
}
requireInput = 1;
SDDSptr = &SDDSin;
if ( SDDS_CheckParameter(SDDSptr, seqRequest[i].meanPar, NULL, SDDS_ANY_NUMERIC_TYPE, stderr)!=SDDS_CHECK_OK) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
}
if (!SDDS_DefineSimpleColumn(&SDDSout, seqRequest[i].outputName, NULL, SDDS_LONG))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
} else {
if (seqRequest[i].flags&SEQ_RANDOMIZE) {
long newGroupID=0;
/* define randomization groups */
if (seqRequest[i].flags&SEQ_RANDOMGROUP) {
newGroupID = seqRequest[i].randomizationGroup;
for (j=0; j<randomizationGroups; j++)
if (randomizationData[j].group==newGroupID) {
newGroupID = 0;
break;
}
} else {
seqRequest[i].randomizationGroup = newGroupID = -(i+1);
}
if (newGroupID!=0) {
if (!(randomizationData =
SDDS_Realloc(randomizationData,
sizeof(*randomizationData)*(randomizationGroups+1))))
SDDS_Bomb("memory allocation failure");
randomizationData[randomizationGroups].group = newGroupID;
randomizationData[randomizationGroups].order = NULL;
randomizationGroups ++;
}
}
if (seqRequest[i].flags&SEQ_DATAFILE) {
if (!SDDS_InitializeInput(&seqRequest[i].SDDSin,
seqRequest[i].dataFileName))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
SDDSptr = &seqRequest[i].SDDSin;
} else {
if (!mainInputOpened) {
if (!SDDS_InitializeInput(&SDDSin, input) ||
!SDDS_TransferAllParameterDefinitions(&SDDSout, &SDDSin, 0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
mainInputOpened = 1;
}
requireInput = 1;
SDDSptr = &SDDSin;
}
if (SDDS_CheckColumn(SDDSptr,
seqRequest[i].indepName, NULL, SDDS_ANY_NUMERIC_TYPE,
stderr)!=SDDS_CHECK_OK ||
((seqRequest[i].flags&SEQ_CDFNAME) &&
SDDS_CheckColumn(SDDSptr, seqRequest[i].CDFName, NULL, SDDS_ANY_NUMERIC_TYPE,
stderr)!=SDDS_CHECK_OK) ||
((seqRequest[i].flags&SEQ_DFNAME) &&
SDDS_CheckColumn(SDDSptr, seqRequest[i].DFName, NULL, SDDS_ANY_NUMERIC_TYPE,
stderr)!=SDDS_CHECK_OK) ||
!SDDS_TransferColumnDefinition(&SDDSout, SDDSptr,
seqRequest[i].indepName,
seqRequest[i].outputName)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
}
if (seqRequest[i].flags&SEQ_UNITSGIVEN &&
!SDDS_ChangeColumnInformation(&SDDSout, "units", seqRequest[i].units,
SDDS_SET_BY_NAME,
seqRequest[i].outputName))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (verbose)
fprintf(stderr, "Initialized input files\n");
if (!SDDS_WriteLayout(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (randomNumberSeed==0) {
randomNumberSeed = (long)time((time_t *) NULL);
randomNumberSeed = 2*(randomNumberSeed/2) + 1;
#if defined(_WIN32)
random_1(-labs(randomNumberSeed));
#else
random_1(-FABS(randomNumberSeed));
#endif
} else
random_1(-randomNumberSeed);
if (!((sample = calloc(sizeof(*sample), samples))))
SDDS_Bomb("memory allocation failure");
while (1) {
if (verbose)
fprintf(stderr, "Beginning page loop\n");
if (input && SDDS_ReadPage(&SDDSin)<=0)
break;
for (i=0; i<seqRequests; i++) {
if (seqRequest[i].flags&SEQ_DATAFILE &&
SDDS_ReadPage(&seqRequest[i].SDDSin)<=0)
break;
}
if (i!=seqRequests)
break;
if (!SDDS_StartPage(&SDDSout, samples) ||
(input && !SDDS_CopyParameters(&SDDSout, &SDDSin)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (verbose)
fprintf(stderr, "Defining randomization tables\n");
/* define randomization tables */
for (i=0; i<randomizationGroups; i++) {
if (!(randomizationData[i].order=
SDDS_Malloc(sizeof(*randomizationData[i].order)*samples)))
SDDS_Bomb("memory allocation failure");
for (j=0; j<samples; j++)
randomizationData[i].order[j] = j;
randomizeOrder((char*)randomizationData[i].order,
sizeof(*randomizationData[i].order), samples, 0,
random_1);
}
if (verbose)
fprintf(stderr, "Beginning loop over sequence requests\n");
for (i=0; i<seqRequests; i++) {
if (verbose)
fprintf(stderr, "Processing sequence request %ld\n", i);
if (seqRequest[i].flags&SEQ_DIRECT_GAUSSIAN) {
if ((seqRequest[i].meanPar && !SDDS_GetParameterAsDouble(&SDDSin, seqRequest[i].meanPar, &seqRequest[i].mean)) ||
(seqRequest[i].sigmaPar && !SDDS_GetParameterAsDouble(&SDDSin, seqRequest[i].sigmaPar, &seqRequest[i].sigma)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (j=0; j<samples; j++)
sample[j] = gauss_rn_lim(seqRequest[i].mean, seqRequest[i].sigma, -1, random_1);
} else if (seqRequest[i].flags&SEQ_DIRECT_UNIFORM) {
if ((seqRequest[i].minPar && !SDDS_GetParameterAsDouble(&SDDSin, seqRequest[i].minPar, &seqRequest[i].min)) ||
(seqRequest[i].maxPar && !SDDS_GetParameterAsDouble(&SDDSin, seqRequest[i].maxPar, &seqRequest[i].max)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (j=0; j<samples; j++)
sample[j] = seqRequest[i].min + (seqRequest[i].max - seqRequest[i].min) * random_1(1);
} else if (seqRequest[i].flags&SEQ_DIRECT_POISSON) {
double *pos_x, *pos_cdf, CDF;
long pos_points, code;
pos_x = pos_cdf = NULL;
if ((seqRequest[i].meanPar && !SDDS_GetParameterAsDouble(&SDDSin, seqRequest[i].meanPar, &seqRequest[i].mean)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
pos_points = CreatePoissonDistributionTable(&pos_x, &pos_cdf, seqRequest[i].mean);
for (j=0; j<samples; j++) {
CDF = random_1(1);
sample[j]= (int)(interp(pos_x, pos_cdf, pos_points, CDF, 0, 1, &code));
/* fprintf(stderr, "%d, cdf=%f, sample=%f\n", j, CDF, sample[j]);*/
}
free(pos_x);
free(pos_cdf);
} else {
if (input && !(seqRequest[i].flags&SEQ_DATAFILE))
SDDSptr = &SDDSin;
else
SDDSptr = &seqRequest[i].SDDSin;
if ((values = SDDS_CountRowsOfInterest(SDDSptr))) {
if (!(IVValue
= SDDS_GetColumnInDoubles(SDDSptr, seqRequest[i].indepName)) ||
(seqRequest[i].flags&SEQ_CDFNAME &&
!(CDFValue
= SDDS_GetColumnInDoubles(SDDSptr, seqRequest[i].CDFName))) ||
(seqRequest[i].flags&SEQ_DFNAME &&
!(CDFValue
= SDDS_GetColumnInDoubles(SDDSptr, seqRequest[i].DFName))))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
} else {
sprintf(msgBuffer, "empty page for file %s\n",
seqRequest[i].flags&SEQ_DATAFILE?
seqRequest[i].dataFileName:input);
SDDS_Bomb(msgBuffer);
}
if (verbose)
fprintf(stderr, "Checking and converting CDF/DF values\n");
/* check/convert CDF/DF values */
for (j=1; j<values; j++) {
if (IVValue[j-1]>IVValue[j]) {
sprintf(msgBuffer, "random variate values not monotonically increasing for %s",
seqRequest[i].flags&SEQ_DATAFILE?
seqRequest[i].dataFileName:input);
SDDS_Bomb(msgBuffer);
}
if (seqRequest[i].flags&SEQ_DFNAME)
/* convert DF to CDF */
CDFValue[j] += CDFValue[j-1];
if (CDFValue[j] < CDFValue[j-1]) {
sprintf(msgBuffer, "CDF values decreasing for %s",
seqRequest[i].flags&SEQ_DATAFILE?
seqRequest[i].dataFileName:input);
SDDS_Bomb(msgBuffer);
}
}
if (verbose)
fprintf(stderr, "Normalizing CDF\n");
/* normalize the CDF */
if (CDFValue[values-1]<=0) {
sprintf(msgBuffer, "CDF not valid for %s\n",
seqRequest[i].dataFileName);
SDDS_Bomb(msgBuffer);
}
for (j=0; j<values; j++)
CDFValue[j] /= CDFValue[values-1];
if (seqRequest[i].flags&SEQ_HALTONRADIX) {
if (verbose)
fprintf(stderr, "Starting halton sequence, offset=%" PRId32 "\n", seqRequest[i].haltonOffset);
if (!optimalHalton)
haltonID = startHaltonSequence(&seqRequest[i].haltonRadix, 0.5);
else
haltonID = startModHaltonSequence(&seqRequest[i].haltonRadix, 0);
while (seqRequest[i].haltonOffset-- >0) {
if (!optimalHalton)
nextHaltonSequencePoint(haltonID);
else
nextModHaltonSequencePoint(haltonID);
}
}
if (verbose)
fprintf(stderr, "Generating samples\n");
for (j=0; j<samples; j++) {
double CDF;
long code;
while (1) {
if (seqRequest[i].flags&SEQ_HALTONRADIX) {
if (!optimalHalton)
CDF = nextHaltonSequencePoint(haltonID);
else
CDF = nextModHaltonSequencePoint(haltonID);
}
else
CDF = random_1(1);
if (CDF<=CDFValue[values-1] && CDF>=CDFValue[0])
break;
}
sample[j]
= seqRequest[i].factor*interp(IVValue, CDFValue, values, CDF, 0, 1, &code)
+ seqRequest[i].offset;
}
if (seqRequest[i].flags&SEQ_RANDOMIZE) {
long k, l;
double *sample1;
if (verbose)
fprintf(stderr, "Randomizing order of values\n");
if (!(sample1 = malloc(sizeof(*sample1)*samples)))
SDDS_Bomb("memory allocation failure");
for (l=0; l<randomizationGroups; l++)
if (randomizationData[l].group==seqRequest[i].randomizationGroup)
break;
if (l==randomizationGroups)
SDDS_Bomb("problem with construction of randomization groups!");
for (k=0; k<samples; k++)
sample1[k] = sample[randomizationData[l].order[k]];
free(sample);
sample = sample1;
}
free(IVValue);
free(CDFValue);
}
if (verbose)
fprintf(stderr, "Setting SDDS column values\n");
if (!SDDS_SetColumnFromDoubles(&SDDSout, SDDS_SET_BY_NAME,
sample, samples,
seqRequest[i].outputName?
seqRequest[i].outputName:
seqRequest[i].indepName))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (verbose)
fprintf(stderr, "Writing data page\n");
if (!SDDS_WritePage(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!requireInput)
break;
}
if (verbose)
fprintf(stderr, "Exited read loop\n");
free(sample);
if ((input && !SDDS_Terminate(&SDDSin)) || !SDDS_Terminate(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (i=0; i<seqRequests; i++) {
if (seqRequest[i].dataFileName) free(seqRequest[i].dataFileName);
if (seqRequest[i].indepName) free(seqRequest[i].indepName);
if (seqRequest[i].outputName) free(seqRequest[i].outputName);
if (seqRequest[i].DFName) free(seqRequest[i].DFName);
if (seqRequest[i].CDFName) free(seqRequest[i].CDFName);
if (seqRequest[i].units) free(seqRequest[i].units);
if (seqRequest[i].meanPar) free(seqRequest[i].meanPar);
if (seqRequest[i].sigmaPar) free(seqRequest[i].sigmaPar);
if (seqRequest[i].minPar) free(seqRequest[i].minPar);
if (seqRequest[i].maxPar) free(seqRequest[i].maxPar);
if (seqRequest[i].flags&SEQ_DATAFILE && !SDDS_Terminate(&(seqRequest[i].SDDSin)))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
free(seqRequest);
for (i=0; i<randomizationGroups; i++)
free(randomizationData[i].order);
if (randomizationData) free(randomizationData);
free_scanargs(&scanned, argc);
return(0);
}
int main(int argc, char **argv)
{
char *input, *output;
char **copyColumnName, **usersCopyColumnName;
GROUPS *group;
int32_t copyColumns;
long usersCopyColumns, groups;
long iArg, i, rows, readCode, items;
unsigned long flags, pipeFlags;
SCANNED_ARG *scArg;
SDDS_DATASET SDDSin, SDDSout;
SDDS_RegisterProgramName(argv[0]);
argc = scanargs(&scArg, argc, argv);
if (argc<2)
bomb(USAGE, NULL);
output = input = NULL;
flags = pipeFlags = 0;
group = NULL;
copyColumnName = usersCopyColumnName = NULL;
usersCopyColumns = copyColumns = groups = 0;
for (iArg=1; iArg<argc; iArg++) {
if (scArg[iArg].arg_type==OPTION) {
/* process options here */
switch (match_string(scArg[iArg].list[0], option, N_OPTIONS, 0)) {
case SET_PIPE:
if (!processPipeOption(scArg[iArg].list+1, scArg[iArg].n_items-1, &pipeFlags))
SDDS_Bomb("invalid -pipe syntax");
break;
case SET_GROUP:
if ((items = scArg[iArg].n_items-1)<2)
SDDS_Bomb("invalid -group syntax");
if (!(group = SDDS_Realloc(group, sizeof(*group)*(groups+1))) ||
!SDDS_CopyString(&group[groups].newName, scArg[iArg].list[1]) ||
!(group[groups].usersOldName = SDDS_Malloc(sizeof(*group[groups].usersOldName)*
(group[groups].usersOldNames=items-1))) ||
!SDDS_CopyStringArray(group[groups].usersOldName, scArg[iArg].list+2,
group[groups].usersOldNames))
SDDS_Bomb("memory allocation failure");
group[groups].oldName = NULL;
group[groups].oldNames = 0;
groups++;
break;
case SET_COPY:
if (usersCopyColumns)
SDDS_Bomb("give -copy only once");
if ((usersCopyColumns=scArg[iArg].n_items-1)<1)
SDDS_Bomb("invalid -copy syntax");
if (!(usersCopyColumnName = SDDS_Malloc(sizeof(*usersCopyColumnName)*usersCopyColumns)) ||
!SDDS_CopyStringArray(usersCopyColumnName, scArg[iArg].list+1, usersCopyColumns))
SDDS_Bomb("memory allocation failure");
break;
default:
fprintf(stderr, "error: unknown/ambiguous option: %s\n", scArg[iArg].list[0]);
exit(1);
break;
}
}
else {
if (!input)
input = scArg[iArg].list[0];
else if (!output)
output = scArg[iArg].list[0];
else
SDDS_Bomb("too many filenames seen");
}
}
if (groups==0)
SDDS_Bomb("no groups defined");
processFilenames("sddsseparate", &input, &output, pipeFlags, 0, NULL);
if (!SDDS_InitializeInput(&SDDSin, input))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (usersCopyColumns) {
SDDS_SetColumnFlags(&SDDSin, 0);
for (i=0; i<usersCopyColumns; i++)
SDDS_SetColumnsOfInterest(&SDDSin, SDDS_MATCH_STRING, usersCopyColumnName[i], SDDS_OR);
if (!(copyColumnName = SDDS_GetColumnNames(&SDDSin, ©Columns)) || copyColumns==0)
SDDS_Bomb("no match for copy columns");
}
for (i=0; i<groups; i++) {
long j, type=0;
SDDS_SetColumnFlags(&SDDSin, 0);
for (j=0; j<group[i].usersOldNames; j++)
SDDS_SetColumnsOfInterest(&SDDSin, SDDS_MATCH_STRING, group[i].usersOldName[j], SDDS_OR);
if (!(group[i].oldName = SDDS_GetColumnNames(&SDDSin, &group[i].oldNames))) {
fprintf(stderr, "No match for group %s (sddsseparate)\n",
group[i].newName);
exit(1);
}
if (i && group[i-1].oldNames!=group[i].oldNames) {
fprintf(stderr, "Group %s comprises %" PRId32 " columns, whereas the last group comprises %" PRId32 " (sddsseparate)\n",
group[i].newName, group[i].oldNames, group[i-1].oldNames);
exit(1);
}
type = SDDS_GetColumnType(&SDDSin, SDDS_GetColumnIndex(&SDDSin, group[i].oldName[0]));
for (j=1; j<group[i].oldNames; j++) {
if (type != SDDS_GetColumnType(&SDDSin, SDDS_GetColumnIndex(&SDDSin, group[i].oldName[j]))) {
fprintf(stderr, "Inconsistent data types in group %s (sddsseparate)\n", group[i].newName);
fprintf(stderr, "First inconsistent column is %s\n", group[i].oldName[j]);
exit(1);
}
}
}
if (!SDDS_InitializeOutput(&SDDSout, SDDS_BINARY, 0, NULL, NULL, output) ||
!SDDS_TransferAllParameterDefinitions(&SDDSout, &SDDSin, 0))
SDDS_Bomb("problem initializing output file");
for (i=0; i<copyColumns; i++)
if (!SDDS_TransferColumnDefinition(&SDDSout, &SDDSin, copyColumnName[i], NULL))
SDDS_Bomb("problem transferring copy column definitions to output file");
for (i=0; i<groups; i++) {
char *name;
if (!SDDS_TransferColumnDefinition(&SDDSout, &SDDSin, group[i].oldName[0], group[i].newName)) {
fprintf(stderr, "Problem transferring column %s as %s to output file (sddsseparate)\n",
group[i].oldName[0], group[i].newName);
exit(1);
}
if (!(group[i].parameterName = SDDS_Malloc(sizeof(*name)*(strlen(group[i].newName)+100))))
SDDS_Bomb("memory allocation failure");
sprintf(group[i].parameterName, "%sSourceColumn", group[i].newName);
if (!SDDS_DefineSimpleParameter(&SDDSout, group[i].parameterName, NULL, SDDS_STRING))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_WriteLayout(&SDDSout))
SDDS_Bomb("problem writing layout to output file");
while ((readCode=SDDS_ReadPage(&SDDSin))>0) {
if ((rows = SDDS_CountRowsOfInterest(&SDDSin))<0)
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!rows)
continue;
for (i=0; i<group[0].oldNames; i++) {
long ic, ig;
if (!SDDS_StartPage(&SDDSout, rows) || !SDDS_CopyParameters(&SDDSout, &SDDSin))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (ic=0; ic<copyColumns; ic++) {
void *data;
if (!(data = SDDS_GetInternalColumn(&SDDSin, copyColumnName[ic])) ||
!SDDS_SetColumn(&SDDSout, SDDS_SET_BY_NAME, data, rows, copyColumnName[ic]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
for (ig=0; ig<groups; ig++) {
void *data;
if (!SDDS_SetParameters(&SDDSout, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE,
group[ig].parameterName,
group[ig].oldName[i], NULL) ||
!(data = SDDS_GetInternalColumn(&SDDSin, group[ig].oldName[i])) ||
!SDDS_SetColumn(&SDDSout, SDDS_SET_BY_NAME, data, rows, group[ig].newName))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_WritePage(&SDDSout))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
}
if (!SDDS_Terminate(&SDDSin)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
if (!SDDS_Terminate(&SDDSout)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
return 0;
}
void SetupOutputFile(char *outputfile, SDDS_DATASET *SDDSout, int mode, SDDS_DATASET *SDDSin, long copyCols, char **copyCol, long copyPars, char **copyPar) {
long i, cols=0, pars=0;
char **column=NULL, **par=NULL;
if (!SDDS_InitializeOutput(SDDSout, SDDS_BINARY, 1, NULL, NULL, outputfile))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (copyCols) {
column = getMatchingSDDSNames(SDDSin, copyCol, copyCols, &cols, SDDS_MATCH_COLUMN);
SDDS_SetColumnFlags(SDDSin, 0);
for (i=0; i<cols; i++) {
if (!SDDS_TransferColumnDefinition(SDDSout, SDDSin, column[i], NULL))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!SDDS_SetColumnsOfInterest(SDDSin, SDDS_MATCH_STRING, column[i], SDDS_OR))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
SDDS_FreeStringArray(column, cols);
}
if (copyPars) {
par = getMatchingSDDSNames(SDDSin, copyPar, copyPars, &pars, SDDS_MATCH_PARAMETER);
for (i=0; i<pars; i++) {
if (!SDDS_TransferParameterDefinition(SDDSout, SDDSin, par[i], NULL))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
SDDS_FreeStringArray(par, pars);
}
if (verbose > 1 ) { fprintf(stdout, "cols %ld pars %ld\n", cols, pars); }
if (!SDDS_DefineSimpleParameter(SDDSout, "sddsxra_mode", NULL, SDDS_LONG) ||
!SDDS_DefineSimpleParameter(SDDSout, "TargetMaterial", NULL, SDDS_STRING) ||
!SDDS_DefineSimpleParameter(SDDSout, "TargetFormula", NULL, SDDS_STRING) ||
!SDDS_DefineSimpleParameter(SDDSout, "MassThickness", "g/cm^2", SDDS_DOUBLE) ||
!SDDS_DefineSimpleParameter(SDDSout, "TargetThickness", "mm", SDDS_DOUBLE) ||
!SDDS_DefineSimpleParameter(SDDSout, "TargetDensity", "g/cm^3", SDDS_DOUBLE) ||
!SDDS_DefineSimpleParameter(SDDSout, "ThetaIn", "degrees", SDDS_DOUBLE) ||
!SDDS_DefineSimpleColumn(SDDSout, "PhotonEnergy", "eV", SDDS_DOUBLE))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (mode!=1 && mode!=6 && mode!=11) {
if (SDDS_DefineColumn(SDDSout, "TotalCS", NULL, "cm^2/g", "Total x-ray cross section",NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "PhotoCS", NULL, "cm^2/g", "Photoelectric cross section",NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "CoherentCS", NULL, "cm^2/g", "Coherent scattering cross section ",NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "IncoherentCS", NULL, "cm^2/g", "Incoherent scattering cross section ",NULL, SDDS_DOUBLE, 0)<0)
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (mode==1 || mode==6) {
if (SDDS_DefineColumn(SDDSout, "RefracIndex_Re", NULL, NULL, "Real part of refractive index", NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "RefracIndex_Im", NULL, NULL, "Imaginary part of refractive index", NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "delta", NULL, NULL, "Real part of 1 - n", NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "beta", NULL, NULL, "Imaginary part 1 - n", NULL, SDDS_DOUBLE, 0)<0)
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
} else if (mode==11) {
if (SDDS_DefineColumn(SDDSout, "F1", NULL, NULL, "Atomic scattering factor f1", NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "F2", NULL, NULL, "Atomic scattering factor f2", NULL, SDDS_DOUBLE, 0)<0)
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (mode==6) {
if (SDDS_DefineColumn(SDDSout, "Reflectivity", NULL, "g/cm^3", NULL, NULL, SDDS_DOUBLE, 0)<0 ||
!SDDS_DefineSimpleParameter(SDDSout, "Polarization", NULL, SDDS_DOUBLE))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (mode==2 || mode==4 || mode==12 || mode==14) {
if (SDDS_DefineColumn(SDDSout, "Transmission", NULL, NULL, "Ratio of x-ray beam transmitted through the film target", NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "Absorption", NULL, NULL, "Ratio of x-ray beam absorbed by the film target", NULL, SDDS_DOUBLE, 0)<0 )
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (mode==4 || mode==14 ) {
if (SDDS_DefineColumn(SDDSout, "TotalElectronYieldFront", NULL, NULL, NULL, NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "TotalElectronYieldBack", NULL, NULL, NULL, NULL, SDDS_DOUBLE, 0)<0 ||
SDDS_DefineColumn(SDDSout, "TotalElectronYield", NULL, NULL, NULL, NULL, SDDS_DOUBLE, 0)<0 ||
!SDDS_DefineSimpleParameter(SDDSout, "TargetEfficiency", "g/cm^2", SDDS_DOUBLE))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (mode==20) {
if (!SDDS_DefineSimpleParameter(SDDSout, "ShellID", NULL, SDDS_LONG) ||
!SDDS_DefineSimpleParameter(SDDSout, "ShellName", NULL, SDDS_STRING) ||
!SDDS_DefineSimpleParameter(SDDSout, "EdgeEnergy", "eV", SDDS_DOUBLE) ||
!SDDS_DefineSimpleParameter(SDDSout, "FluorYield", NULL, SDDS_DOUBLE) ||
!SDDS_DefineSimpleParameter(SDDSout, "JumpFactor", NULL, SDDS_DOUBLE) ||
!SDDS_DefineSimpleParameter(SDDSout, "LevelWidth", "eV", SDDS_DOUBLE) ||
!SDDS_DefineSimpleParameter(SDDSout, "ElectronConfig", "e", SDDS_DOUBLE))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_WriteLayout(SDDSout))
SDDS_PrintErrors(stdout, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
